2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C22H21N5O3S/c1-4-11-27-20(14-9-10-17(29-2)18(12-14)30-3)25-26-22(27)31-13-19-23-16-8-6-5-7-15(16)21(28)24-19/h4-10,12H,1,11,13H2,2-3H3,(H,23,24,28)